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Substance Name: Quinolinium, 2-(2,2-bis((2-(dimethylamino)ethyl)amino)vinyl)-1-methyl-, iodide
RN: 104664-35-9
InChIKey: ANPFLKYDEBRTSM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H32-N5.I

Molecular Weight

  • 469.4078
 
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Names and Synonyms

Synonym

  • 2-(2,2-Bis((2-(dimethylamino)ethyl)amino)vinyl)-1-methylquinolinium iodide

Systematic Name

  • Quinolinium, 2-(2,2-bis((2-(dimethylamino)ethyl)amino)vinyl)-1-methyl-, iodide

Registry Numbers

CAS Registry Number

  • 104664-35-9

System Generated Number

  • 0104664359

Molecular Formulas

Molecular Formula

  • C20-H32-N5.I

Molecular Formula Fragments

  • C20-H32-N5
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C20H31N5.HI/c1-23(2)14-12-21-20(22-13-15-24(3)4)16-18-11-10-17-8-6-7-9-19(17)25(18)5;/h6-11,16H,12-15H2,1-5H3,(H,21,22);1H

InChIKey

ANPFLKYDEBRTSM-UHFFFAOYSA-N

Smiles

C[n+]1c(ccc2c1cccc2)C=C(NCCN(C)C)NCCN(C)C.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 90mg/kg (90mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 57, 1987.